N-[2-(5-Amino-1,3,4-thiadiazol-2-YL)ethyl]-3,4-dimethoxybenzamide

Base Information

• Chemical Name: N-[2-(5-Amino-1,3,4-thiadiazol-2-YL)ethyl]-3,4-dimethoxybenzamide
• CAS No.: 1199216-01-7
• Molecular Formula: C13H16N4O3S
• Molecular Weight: 308.36
• DSSTox Substance ID: DTXSID301167038
• Mol file: 1199216-01-7.mol

Synonyms:N-[2-(5-AMINO-1,3,4-THIADIAZOL-2-YL)ETHYL]-3,4-DIMETHOXYBENZAMIDE;1199216-01-7;DTXSID301167038;MFCD13248739;STL261800;AKOS005173914;LS-04033

Chemical Property of N-[2-(5-Amino-1,3,4-thiadiazol-2-YL)ethyl]-3,4-dimethoxybenzamide

Chemical Property:

• PKA: 13.66±0.46(Predicted)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 308.09431156
• Heavy Atom Count: 21
• Complexity: 347

Purity/Quality:

97% ^*data from raw suppliers

N-[2-(5-Amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4-dimethoxybenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)NCCC2=NN=C(S2)N)OC